N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-1-oxidanidyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-1-oxidanidyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-1-oxido-pyridin-1-ium-2-carboxamide CAS Name: N-[[1-(3-fluorophenyl)-4-pyrazolyl]methyl]-1-oxido-2-pyridin-1-iumcarboxamide IUPAC Name: N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-1-oxidopyridin-1-ium-2-carboxamide Traditional Name: N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-1-oxido-pyridin-1-ium-2-carboxamide Formula: C16H13FN4O2 MolecularWeight: 312.298423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)NCC2=CN(N=C2)C3=CC(=CC=C3)F)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)NCC2=CN(N=C2)C3=CC(=CC=C3)F)[O-]

InChI

InChI=1S/C16H13FN4O2/c17-13-4-3-5-14(8-13)20-11-12(10-19-20)9-18-16(22)15-6-1-2-7-21(15)23/h1-8,10-11H,9H2,(H,18,22)